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La ricerca find articoli where authors phrase all words ' Vahtras, O' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 55 riferimenti
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    1. Engstrom, M; Owenius, R; Vahtras, O
      Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label

      CHEMICAL PHYSICS LETTERS
    2. Engstrom, M; Himo, F; Graslund, A; Minaev, B; Vahtras, O; Agren, H
      Hydrogen bonding to tyrosyl radical analyzed by ab initio g-tensor calculations

      JOURNAL OF PHYSICAL CHEMISTRY A
    3. Carravetta, V; Agren, H; Vahtras, O; Jensen, HJA
      Ab initio calculations of molecular resonant photoemission spectra

      JOURNAL OF CHEMICAL PHYSICS
    4. Engstrom, M; Vahtras, O; Agren, H
      MCSCF and DFT calculations of EPR parameters of sulfur centered radicals

      CHEMICAL PHYSICS LETTERS
    5. Yang, L; Plashkevych, O; Vahtras, O; Carravetta, V; Agren, H
      Near-edge X-ray absorption and dichroism in amino acids

      JOURNAL OF SYNCHROTRON RADIATION
    6. Engstrom, M; Vahtras, O; Agren, H
      Hartree-Fock linear response calculations of g-tensors of substituted benzene radicals

      CHEMICAL PHYSICS
    7. Vaara, J; Ruud, K; Vahtras, O
      Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    8. Yang, L; Vahtras, O; Agren, H
      Photoionization cross sections of charge-induced gap states: A theoreticalstudy of doped diphenylpolyenes

      PHYSICAL REVIEW B-CONDENSED MATTER
    9. Evans, T; Woodhead, AP; Gutierrez-Sosa, A; Thornton, G; Hall, TJ; Davis, AA; Young, NA; Wells, PB; Oldman, RJ; Plashkevych, O; Vahtras, O; Agren, H; Carravetta, V
      Orientation of 10,11-dihydrocinchonidine on Pt(111)

      SURFACE SCIENCE
    10. Vaara, J; Ruud, K; Vahtras, O
      Second- and third-order spin-orbit contributions to nuclear shielding tensors

      JOURNAL OF CHEMICAL PHYSICS
    11. YANG L; AGREN H; CARRAVETTA V; VAHTRAS O; KARLSSON L; WANNBERG B; HOLLAND DMP; MACDONALD MA
      ENERGY-DEPENDENT VALENCE PHOTOELECTRON-SPECTRA OF SF6 - AB-INITIO CALCULATIONS AND MEASUREMENTS

      Journal of electron spectroscopy and related phenomena
    12. ENGSTROM M; MINAEV B; VAHTRAS O; AGREN H
      LINEAR-RESPONSE CALCULATIONS OF ELECTRONIC G-FACTORS AND SPIN-ROTATIONAL COUPLING-CONSTANTS FOR DIATOMIC-MOLECULES WITH A TRIPLET GROUND-STATE

      Chemical physics
    13. PLASHKEVYCH O; CARRAVETTA V; VAHTRAS O; AGREN H
      THEORETICAL-STUDY OF X-RAY CIRCULAR-DICHROISM OF AMINO-ACIDS

      Chemical physics
    14. VAARA J; RUUD K; VAHTRAS O; AGREN H; JOKISAARI J
      QUADRATIC RESPONSE CALCULATIONS OF THE ELECTRONIC SPIN-ORBIT CONTRIBUTION TO NUCLEAR SHIELDING TENSORS

      The Journal of chemical physics
    15. LUO Y; JONSSON D; NORMAN P; RUUD K; VAHTRAS O; MINAEV B; AGREN H; RIZZO A; MIKKELSEN KV
      SOME RECENT DEVELOPMENTS OF HIGH-ORDER RESPONSE THEORY

      International journal of quantum chemistry
    16. MINAEV B; VAARA J; RUUD K; VAHTRAS O; AGREN H
      INTERNUCLEAR DISTANCE DEPENDENCE OF THE SPIN-ORBIT-COUPLING CONTRIBUTIONS TO PROTON NMR CHEMICAL-SHIFTS

      Chemical physics letters
    17. AGREN H; CARRAVETTA V; VAHTRAS O; PETTERSSON LGM
      DIRECT SCF DIRECT STATIC-EXCHANGE CALCULATIONS OF ELECTRONIC-SPECTRA

      Theoretical chemistry accounts
    18. AGREN H; PETTERSSON LGM; CARRAVETTA V; LUO Y; YANG L; VAHTRAS O
      SELF-CONSISTENT-FIELD CALCULATIONS OF X-RAY-EMISSION SPECTRA OF SURFACE ADSORBATES AND POLYMERS

      Journal de physique. IV
    19. CARRAVETTA V; YANG L; VAHTRAS O; AGREN H; PETTERSSON LGM
      AB-INITIO STATIC EXCHANGE CALCULATIONS OF SHAKE-UP SPECTRA OF MOLECULES AND SURFACE ADSORBATES

      Journal de physique. IV
    20. LUO Y; VAHTRAS O; GELMUKHANOV F; AGREN H
      THEORY OF NATURAL CIRCULAR-DICHROISM IN X-RAY RAMAN-SCATTERING FROM MOLECULES

      Physical review. A
    21. VAHTRAS O; AGREN H; CARRAVETTA V
      NATURAL CIRCULAR-DICHROISM IN NONRESONANT X-RAY-EMISSION

      Journal of physics. B, Atomic molecular and optical physics
    22. PLASHKEVYCH O; YANG L; VAHTRAS O; AGREN H; PETTERSSON LGM
      SUBSTITUTED BENZENES AS BUILDING-BLOCKS IN NEAR-EDGE X-RAY-ABSORPTIONSPECTRA

      Chemical physics
    23. YANG L; VAHTRAS O; AGREN H; CARRAVETTA V
      DENSITY-OF-STATES VS CROSS-SECTION INTERPRETATIONS OF VALENCE PHOTOELECTRON-SPECTRA

      Europhysics letters
    24. JONSSON D; NORMAN P; VAHTRAS O; AGREN H; RIZZO A
      THE HYPERMAGNETIZABILITY OF MOLECULAR-OXYGEN

      The Journal of chemical physics
    25. VAHTRAS O; MINAEV B; AGREN H
      AB-INITIO CALCULATIONS OF ELECTRONIC G-FACTORS BY MEANS OF MULTICONFIGURATION RESPONSE THEORY

      Chemical physics letters
    26. CARRAVETTA V; PLACHKEVYTCH O; VAHTRAS O; AGREN H
      ORDINARY AND ROTATORY INTENSITIES FOR X-RAY-ABSORPTION AT THE C-1S EDGE OF ORGANIC CHIRAL MOLECULES, PROPYLENE-OXIDE AND TRANS-1,2-DIMETHYLCYCLOPROPANE

      Chemical physics letters
    27. MINAEV B; VAHTRAS O; AGREN H
      MAGNETIC PHOSPHORESCENCE OF MOLECULAR-OXYGEN - A STUDY OF THE B1-SIGMA(G)(-X(3)SIGMA(G)(-) TRANSITION-PROBABILITY USING MULTICONFIGURATION RESPONSE THEORY())

      Chemical physics
    28. NORMAN P; JONSSON D; VAHTRAS O; AGREN H
      NONLINEAR ELECTRIC AND MAGNETIC-PROPERTIES OBTAINED FROM CUBIC RESPONSE FUNCTIONS IN THE RANDOM-PHASE-APPROXIMATION

      Chemical physics
    29. AGREN H; CARRAVETTA V; PETTERSSON LGM; VAHTRAS O
      STATIC EXCHANGE AND CLUSTER MODELING OF CORE ELECTRON SHAKEUP SPECTRAOF SURFACE ADSORBATES - CO CU(100)/

      Physical review. B, Condensed matter
    30. JONSSON D; NORMAN P; VAHTRAS O; AGREN H
      MAGNETIC HYPERPOLARIZABILITIES IN A CUBIC RESPONSE FORMULATION

      Theoretica Chimica Acta
    31. CARRAVETTA V; PETTERSSON LGM; VAHTRAS O; AGREN H
      SELF-CONSISTENT-FIELD CALCULATIONS OF X-RAY-EMISSION SPECTRA OF SURFACE ADSORBATES - CO CU(100)/

      Surface science
    32. PETTERSSON LGM; AGREN H; VAHTRAS O; CARRAVETTA V
      CLUSTER MODELING OF CORE ELECTRON PHOTOABSORPTION OF CO ADSORBED ON CU(100)

      Surface science
    33. AGREN H; CARRAVETTA V; PETTERSSON LGM; VAHTRAS O
      STATIC EXCHANGE CALCULATIONS OF X-RAY-ABSORPTION FINE-STRUCTURES IN POLYMERS AND SURFACE ADSORBATES

      Physica. B, Condensed matter
    34. AGREN H; VAHTRAS O; CARRAVETTA V
      NEAR-EDGE CORE PHOTOABSORPTION IN POLYACENES - MODEL MOLECULES FOR GRAPHITE

      Chemical physics
    35. AGREN H; CARRAVETTA V; VAHTRAS O; PETTERSSON LGM
      ORIENTATIONAL PROBING OF POLYMERIC THIN-FILMS BY NEXAFS - CALCULATIONS ON POLYTETRAFLUOROETHYLENE

      Physical review. B, Condensed matter
    36. PETTERSSON LGM; AGREN H; VAHTRAS O; CARRAVETTA V
      CALCULATION OF NEXAFS SPECTRA FOR SURFACE-ADSORBATES - HYDROXYL ON CU(111)

      The Journal of chemical physics
    37. CARRAVETTA V; AGREN H; PETTERSSON LGM; VAHTRAS O
      NEAR-EDGE CORE PHOTOABSORPTION IN POLYENES

      The Journal of chemical physics
    38. KNUTS S; MINAEV BF; VAHTRAS O; AGREN H
      SPIN-ORBIT-COUPLING IN THE INTERSYSTEM CROSSING OF THE RING-OPENED OXIRANE BIRADICAL

      International journal of quantum chemistry
    39. NORMAN P; JONSSON D; VAHTRAS O; AGREN H
      CUBIC RESPONSE FUNCTIONS IN THE RANDOM-PHASE-APPROXIMATION

      Chemical physics letters
    40. GUO JH; SKYTT P; WASSDAHL N; NORDGREN J; LUO Y; VAHTRAS O; AGREN H
      RESONANT AND NONRESONANT X-RAY-SCATTERING FROM C-70

      Chemical physics letters
    41. AGREN H; VAHTRAS O; KNUTS S; JORGENSEN P
      RADIATIVE LIFETIMES OF TRIPLET SPIN SUBLEVELS OF THE AZABENZENES

      Chemical physics
    42. VAHTRAS O; AGREN H; JENSEN HJA
      DIRECT ONE-INDEX TRANSFORMATIONS IN MULTICONFIGURATION RESPONSE CALCULATIONS

      Journal of computational chemistry
    43. KNUTS S; MINAEV BF; AGREN H; VAHTRAS O
      THE PHOSPHORESCENCE OF BENZENE OBTAINED BY AB-INITIO AND SEMIEMPIRICAL CALCULATIONS

      Theoretica Chimica Acta
    44. OLSEN J; MINAEV B; VAHTRAS O; AGREN H; JORGENSEN P; JENSEN HJA; HELGAKER T
      THE VEGARD-KAPLAN BAND AND THE PHOSPHORESCENT DECAY OF N-2

      Chemical physics letters
    45. GUO JH; LUO Y; VAHTRAS O; SKYTT P; WASSDAHL N; AGREN H; NORDGREN J
      AB-INITIO CALCULATIONS OF X-RAY-EMISSION FROM C-60

      Chemical physics letters
    46. AGREN H; CARRAVETTA V; VAHTRAS O; PETTERSSON LGM
      DIRECT, ATOMIC ORBITAL, STATIC EXCHANGE CALCULATIONS OF PHOTOABSORPTION SPECTRA OF LARGE MOLECULES AND CLUSTERS

      Chemical physics letters
    47. MINAEV BF; KNUTS S; AGREN H; VAHTRAS O
      THE VIBRONICALLY INDUCED PHOSPHORESCENCE IN BENZENE

      Chemical physics
    48. BARSZCZEWICZ A; JASZUNSKI M; KAMIENSKATRELA K; HELGAKER T; JORGENSEN P; VAHTRAS O
      AB-INITIO STUDY OF THE NMR SHIELDING CONSTANTS AND SPIN-SPIN COUPLING-CONSTANTS IN CYCLOPROPENE

      Theoretica Chimica Acta
    49. ANDERSEN LH; POSTHUMUS JH; VAHTRAS O; AGREN H; ELANDER N; NUNEZ A; SCRINZI A; NATIELLO M; LARSSON M
      VERY SLOW SPONTANEOUS DISSOCIATION OF CO2-ION STORAGE-RING( OBSERVED BY MEANS OF A HEAVY)

      Physical review letters
    50. YI L; AGREN H; VAHTRAS O; JORGENSEN P; SPIRKO V; HETTEMA H
      FREQUENCY-DEPENDENT POLARIZABILITIES AND 1ST HYPERPOLARIZABILITIES OFH2O

      The Journal of chemical physics
    51. AGREN H; VAHTRAS O; KOCH H; JORGENSEN P; HELGAKER T
      DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE

      The Journal of chemical physics
    52. VAHTRAS O; ALMLOF J; FEYEREISEN MW
      INTEGRAL APPROXIMATIONS FOR LCAO-SCF CALCULATIONS

      Chemical physics letters
    53. VAHTRAS O; AGREN H; JORGENSEN P; HELGAKER T; JENSEN HJA
      THE NUCLEAR SPIN-SPIN COUPLING IN N2 AND CO

      Chemical physics letters
    54. LUO Y; AGREN H; VAHTRAS O; JORGENSEN P
      THE HYPERPOLARIZABILITY DISPERSION OF PARA-NITROANILINE

      Chemical physics letters
    55. LUO Y; VAHTRAS O; AGREN H; JORGENSEN P
      FREQUENCY-DEPENDENT POLARIZABILITIES AND 2ND HYPERPOLARIZABILITIES OFN2

      Chemical physics letters


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Documento generato il 23/01/21 alle ore 21:08:50